methyl 4-[[2-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate

Systemtic Name: methyl 4-[[2-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate Openeye Name: methyl 4-[2-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]anilino]-2,5-dihydrothiophene-3-carboxylate CAS Name: 4-[2-[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]anilino]-2,5-dihydrothiophene-3-carboxylate Traditional Name: 4-[2-[[2-methoxy-4-(methylthio)benzoyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NC2=CC=CC=C2NC3=C(CSC3)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NC2=CC=CC=C2NC3=C(CSC3)C(=O)OC

InChI

InChI=1S/C21H22N2O4S2/c1-26-19-10-13(28-3)8-9-14(19)20(24)23-17-7-5-4-6-16(17)22-18-12-29-11-15(18)21(25)27-2/h4-10,22H,11-12H2,1-3H3,(H,23,24)