ethyl 2-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3-ethoxybenzoyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-ethoxybenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-ethoxybenzoyl)thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OCC)C

InChI

InChI=1S/C17H19N3O4S2/c1-4-23-12-8-6-7-11(9-12)14(21)19-16(25)20-17-18-10(3)13(26-17)15(22)24-5-2/h6-9H,4-5H2,1-3H3,(H2,18,19,20,21,25)