dimethyl 3-methyl-5-[(phenylmethyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(phenylmethyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(benzylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(benzylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(benzylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=CC=C2)C(=O)OC

InChI

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