ethyl 2-[2-[[4-butyl-5-[[(3-methoxyphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[4-butyl-5-[[(3-methoxyphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-butyl-5-[[(3-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[4-butyl-5-[[[(3-methoxyphenyl)-oxomethyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[4-butyl-5-[[(3-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-butyl-5-[(m-anisoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C29H37N5O5S2 MolecularWeight: 599.76458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)CNC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)CNC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C29H37N5O5S2/c1-4-6-15-34-23(17-30-26(36)19-11-10-12-20(16-19)38-3)32-33-29(34)40-18-24(35)31-27-25(28(37)39-5-2)21-13-8-7-9-14-22(21)41-27/h10-12,16H,4-9,13-15,17-18H2,1-3H3,(H,30,36)(H,31,35)