ethyl 2-[(4-methoxycarbonylphenyl)carbonylcarbamothioylimino]-3,4-dimethyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(4-methoxycarbonylphenyl)carbonylcarbamothioylimino]-3,4-dimethyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4-methoxycarbonylbenzoyl)carbamothioylimino]-3,4-dimethyl-thiazole-5-carboxylate CAS Name: 2-[[[(4-methoxycarbonylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxycarbonylbenzoyl)carbamothioylimino]-3,4-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-carbomethoxybenzoyl)thiocarbamoylimino]-3,4-dimethyl-4-thiazoline-5-carboxylic acid ethyl ester Formula: C18H19N3O5S2 MolecularWeight: 421.49056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S2/c1-5-26-16(24)13-10(2)21(3)18(28-13)20-17(27)19-14(22)11-6-8-12(9-7-11)15(23)25-4/h6-9H,5H2,1-4H3,(H,19,22,27)