methyl 2-[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[2-[(2-amino-2-oxoethyl)thio]anilino]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[2-[(2-amino-2-keto-ethyl)thio]anilino]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=CC=CC=C2SCC(=O)N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CNC2=CC=CC=C2SCC(=O)N)C

InChI

InChI=1S/C18H21N3O4S2/c1-10-11(2)27-17(16(10)18(24)25-3)21-15(23)8-20-12-6-4-5-7-13(12)26-9-14(19)22/h4-7,20H,8-9H2,1-3H3,(H2,19,22)(H,21,23)