methyl 4-cyano-5-[(2,6-dimethoxyphenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-5-[(2,6-dimethoxyphenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[(2,6-dimethoxybenzoyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[(2,6-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[(2,6-dimethoxybenzoyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(2,6-dimethoxybenzoyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=C(C=CC=C2OC)OC)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=C(C=CC=C2OC)OC)C(=O)OC

InChI

InChI=1S/C18H17N3O5S2/c1-9-10(8-19)16(28-14(9)17(23)26-4)21-18(27)20-15(22)13-11(24-2)6-5-7-12(13)25-3/h5-7H,1-4H3,(H2,20,21,22,27)