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

Systemtic Name: ethyl 2-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2-methoxycarbonyl-3-thienyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(2-methoxycarbonyl-3-thiophenyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-carbomethoxy-3-thienyl)thiocarbamoylamino]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(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O4S3/c1-3-27-19(24)15-12-14(11-13-7-5-4-6-8-13)30-18(15)23-21(28)22-16-9-10-29-17(16)20(25)26-2/h4-10,12H,3,11H2,1-2H3,(H2,22,23,28)