ethyl 2-[2-(3-aminophenyl)sulfanylethanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-aminophenyl)sulfanylethanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-aminophenyl)sulfanylacetyl]amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxoethyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-aminophenyl)sulfanylacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(3-aminophenyl)thio]acetyl]amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CSC4=CC=CC(=C4)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CSC4=CC=CC(=C4)N

InChI

InChI=1S/C25H26N2O3S2/c1-2-30-25(29)23-20-12-11-17(16-7-4-3-5-8-16)13-21(20)32-24(23)27-22(28)15-31-19-10-6-9-18(26)14-19/h3-10,14,17H,2,11-13,15,26H2,1H3,(H,27,28)