methyl 3-azanyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-[(4-methylphenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-[(4-methylphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-amino-5-(2-methoxy-2-oxo-ethyl)sulfanyl-4-[(4-methylbenzoyl)amino]thiophene-2-carboxylate CAS Name: 3-amino-5-[(2-methoxy-2-oxoethyl)thio]-4-[[(4-methylphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-(2-methoxy-2-oxoethyl)sulfanyl-4-[(4-methylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 3-amino-5-[(2-keto-2-methoxy-ethyl)thio]-4-(p-toluoylamino)thiophene-2-carboxylic acid methyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(SC(=C2N)C(=O)OC)SCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(SC(=C2N)C(=O)OC)SCC(=O)OC

InChI

InChI=1S/C17H18N2O5S2/c1-9-4-6-10(7-5-9)15(21)19-13-12(18)14(16(22)24-3)26-17(13)25-8-11(20)23-2/h4-7H,8,18H2,1-3H3,(H,19,21)