methyl 2-[(2-methoxycarbonylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methoxycarbonylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-methoxycarbonylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-methoxycarbonylanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methoxycarbonylphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-carbomethoxyphenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2C(=O)OC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2C(=O)OC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S2/c1-13-17(14-9-5-4-6-10-14)18(21(26)28-3)19(30-13)24-22(29)23-16-12-8-7-11-15(16)20(25)27-2/h4-12H,1-3H3,(H2,23,24,29)