ethyl 2-[2-[[4-(3-methylphenyl)-5-[(thiophen-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[4-(3-methylphenyl)-5-[(thiophen-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-(m-tolyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[4-(3-methylphenyl)-5-[[[oxo(thiophen-2-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[4-(3-methylphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(m-tolyl)-5-[(2-thenoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H29N5O4S3 MolecularWeight: 595.75596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC(=C4)C)CNC(=O)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC(=C4)C)CNC(=O)C5=CC=CS5

InChI

InChI=1S/C28H29N5O4S3/c1-3-37-27(36)24-19-10-4-5-11-20(19)40-26(24)30-23(34)16-39-28-32-31-22(15-29-25(35)21-12-7-13-38-21)33(28)18-9-6-8-17(2)14-18/h6-9,12-14H,3-5,10-11,15-16H2,1-2H3,(H,29,35)(H,30,34)