methyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxopropyl]amino]-5-[anilino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[2-[(3-aminophenyl)thio]propanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)SC2=CC=CC(=C2)N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)SC2=CC=CC(=C2)N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O4S2/c1-13-18(23(29)30-3)22(32-19(13)21(28)25-16-9-5-4-6-10-16)26-20(27)14(2)31-17-11-7-8-15(24)12-17/h4-12,14H,24H2,1-3H3,(H,25,28)(H,26,27)