methyl 2-(3-bromophenyl)carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(3-bromophenyl)carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3-bromobenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3-bromophenyl)-oxomethyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromobenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-bromobenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H17BrN2O4S/c1-25-9-8-22-15-7-6-13(18(24)26-2)11-16(15)27-19(22)21-17(23)12-4-3-5-14(20)10-12/h3-7,10-11H,8-9H2,1-2H3