ethyl 2-[(2-methoxyphenyl)carbonylcarbamothioylamino]-5-methyl-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-methoxyphenyl)carbonylcarbamothioylamino]-5-methyl-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-methoxybenzoyl)carbamothioylamino]-5-methyl-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[[[(2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methoxybenzoyl)carbamothioylamino]-5-methyl-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(o-anisoylthiocarbamoylamino)-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O4S3 MolecularWeight: 460.5895

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CS2)C)NC(=S)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CS2)C)NC(=S)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C21H20N2O4S3/c1-4-27-20(25)17-16(15-10-7-11-29-15)12(2)30-19(17)23-21(28)22-18(24)13-8-5-6-9-14(13)26-3/h5-11H,4H2,1-3H3,(H2,22,23,24,28)