ethyl 3-methyl-5-(phenylmethoxycarbonylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-(phenylmethoxycarbonylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(benzyloxycarbonylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[phenylmethoxycarbonylamino(sulfanylidene)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(phenylmethoxycarbonylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 5-(carbobenzoxythiocarbamoylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)OCC2=CC=CC=C2)C

InChI

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