ethyl 5-[(3-chloranyl-6-ethyl-1-benzothiophen-2-yl)carbonylamino]-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 5-[(3-chloranyl-6-ethyl-1-benzothiophen-2-yl)carbonylamino]-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-[(3-chloro-6-ethyl-benzothiophene-2-carbonyl)amino]-3-methyl-isothiazole-4-carboxylate CAS Name: 5-[[(3-chloro-6-ethyl-1-benzothiophen-2-yl)-oxomethyl]amino]-3-methyl-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-[(3-chloro-6-ethyl-benzothiophene-2-carbonyl)amino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C18H17ClN2O3S2 MolecularWeight: 408.92218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C(=NS3)C)C(=O)OCC)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C(=NS3)C)C(=O)OCC)Cl

InChI

InChI=1S/C18H17ClN2O3S2/c1-4-10-6-7-11-12(8-10)25-15(14(11)19)16(22)20-17-13(9(3)21-26-17)18(23)24-5-2/h6-8H,4-5H2,1-3H3,(H,20,22)