ethyl 2-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-methoxycarbonyl-3-thienyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-methoxycarbonyl-3-thiophenyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-carbomethoxy-3-thienyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H18N2O4S3 MolecularWeight: 446.56292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C20H18N2O4S3/c1-3-26-18(23)13-11-15(12-7-5-4-6-8-12)29-17(13)22-20(27)21-14-9-10-28-16(14)19(24)25-2/h4-11H,3H2,1-2H3,(H2,21,22,27)