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

Systemtic Name: methyl 2-[2-(4-aminophenyl)sulfanylethanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-aminophenyl)sulfanylacetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(4-aminophenyl)thio]-1-oxoethyl]amino]-5-[anilino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-aminophenyl)sulfanylacetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-aminophenyl)thio]acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=CC=C(C=C2)N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=CC=C(C=C2)N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4S2/c1-13-18(22(28)29-2)21(25-17(26)12-30-16-10-8-14(23)9-11-16)31-19(13)20(27)24-15-6-4-3-5-7-15/h3-11H,12,23H2,1-2H3,(H,24,27)(H,25,26)