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

Systemtic Name: methyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(3-aminophenyl)thio]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C(=O)OC)SC4=CC=CC(=C4)N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C(=O)OC)SC4=CC=CC(=C4)N

InChI

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