ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[2-(1,3-benzoxazol-2-ylthio)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N2O4S2/c1-3-27-21(26)18-14-9-5-4-6-12-17(14)30-20(18)24-19(25)13(2)29-22-23-15-10-7-8-11-16(15)28-22/h7-8,10-11,13H,3-6,9,12H2,1-2H3,(H,24,25)