ethyl 2-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylpropanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylpropanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylpropanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]thio]-1-oxopropyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylpropanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[2-[[1-(2,5-dimethylbenzyl)indol-3-yl]thio]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C32H36N2O3S2 MolecularWeight: 560.76984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)SC3=CN(C4=CC=CC=C43)CC5=C(C=CC(=C5)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)SC3=CN(C4=CC=CC=C43)CC5=C(C=CC(=C5)C)C

InChI

InChI=1S/C32H36N2O3S2/c1-5-37-32(36)29-25-12-7-6-8-14-27(25)39-31(29)33-30(35)22(4)38-28-19-34(26-13-10-9-11-24(26)28)18-23-17-20(2)15-16-21(23)3/h9-11,13,15-17,19,22H,5-8,12,14,18H2,1-4H3,(H,33,35)