ethyl 2-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4,5-dimethoxy-2-methoxycarbonylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-carbomethoxy-4,5-dimethoxy-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O6S2 MolecularWeight: 514.61374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=C(C=C3C(=O)OC)OC)OC

InChI

InChI=1S/C25H26N2O6S2/c1-5-33-24(29)18-12-16(11-15-9-7-6-8-10-15)35-22(18)27-25(34)26-19-14-21(31-3)20(30-2)13-17(19)23(28)32-4/h6-10,12-14H,5,11H2,1-4H3,(H2,26,27,34)