ethyl 2-acetamido-6-(butyliminomethyl)-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-6-(butyliminomethyl)-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-(butyliminomethyl)-7-phenylsulfanyl-4,5-dihydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-6-(butyliminomethyl)-7-(phenylthio)-4,5-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-(butyliminomethyl)-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-(butyliminomethyl)-7-(phenylthio)-4,5-dihydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=CC1=C(C2=C(CC1)C(=C(S2)NC(=O)C)C(=O)OCC)SC3=CC=CC=C3

Isomeric SMILES

CCCCN=CC1=C(C2=C(CC1)C(=C(S2)NC(=O)C)C(=O)OCC)SC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O3S2/c1-4-6-14-25-15-17-12-13-19-20(24(28)29-5-2)23(26-16(3)27)31-22(19)21(17)30-18-10-8-7-9-11-18/h7-11,15H,4-6,12-14H2,1-3H3,(H,26,27)