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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C(=C(CC2)C=NC(C)(C)C)SC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C(=C(CC2)C=NC(C)(C)C)SC3=CC=CC=C3)NC(=O)C

InChI

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