methyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-ethoxy-2-oxo-ethyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-ethoxy-2-oxoethyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-ethoxy-2-oxoethyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)CNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H18N2O4S2/c1-3-23-14(20)10-18-17(24)19-15-12(16(21)22-2)9-13(25-15)11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H2,18,19,24)