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

Systemtic Name: methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H13ClN2O3S2 MolecularWeight: 416.90112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H13ClN2O3S2/c1-22-12-8-7-10(18(24)25-2)9-14(12)27-19(22)21-17(23)16-15(20)11-5-3-4-6-13(11)26-16/h3-9H,1-2H3