methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(3,4-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(veratrylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCC2=CC(=C(C=C2)OC)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCC2=CC(=C(C=C2)OC)OC)C(=O)OC

InChI

InChI=1S/C17H20N2O4S2/c1-10-7-12(16(20)23-4)15(25-10)19-17(24)18-9-11-5-6-13(21-2)14(8-11)22-3/h5-8H,9H2,1-4H3,(H2,18,19,24)