ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3-chlorobenzothiophene-2-carbonyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chloro-1-benzothiophene-2-carbonyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-chlorobenzothiophene-2-carbonyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H15ClN2O3S2 MolecularWeight: 430.9277

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)C

InChI

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