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

Systemtic Name: methyl 2-(3-bromophenyl)carbonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3-bromobenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3-bromophenyl)-oxomethyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromobenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-bromobenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H19BrN2O4S/c1-3-27-10-9-23-16-8-7-14(19(25)26-2)12-17(16)28-20(23)22-18(24)13-5-4-6-15(21)11-13/h4-8,11-12H,3,9-10H2,1-2H3