ethyl 5-[(1-chloranylbenzo[e][1]benzothiol-2-yl)carbonylamino]-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 5-[(1-chloranylbenzo[e][1]benzothiol-2-yl)carbonylamino]-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-[(1-chlorobenzo[e]benzothiophene-2-carbonyl)amino]-3-methyl-isothiazole-4-carboxylate CAS Name: 5-[[(1-chloro-2-benzo[e][1]benzothiolyl)-oxomethyl]amino]-3-methyl-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-chlorobenzo[e][1]benzothiole-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-[(1-chlorobenzo[e]benzothiophene-2-carbonyl)amino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C20H15ClN2O3S2 MolecularWeight: 430.9277

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1C)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

Isomeric SMILES

CCOC(=O)C1=C(SN=C1C)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C20H15ClN2O3S2/c1-3-26-20(25)14-10(2)23-28-19(14)22-18(24)17-16(21)15-12-7-5-4-6-11(12)8-9-13(15)27-17/h4-9H,3H2,1-2H3,(H,22,24)