ethyl 2-(4-bromophenyl)carbonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(4-bromophenyl)carbonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-bromobenzoyl)imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-bromophenyl)-oxomethyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-bromobenzoyl)imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-bromobenzoyl)imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H17BrN2O5S MolecularWeight: 477.32838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)Br)S2)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)Br)S2)CC(=O)OC

InChI

InChI=1S/C20H17BrN2O5S/c1-3-28-19(26)13-6-9-15-16(10-13)29-20(23(15)11-17(24)27-2)22-18(25)12-4-7-14(21)8-5-12/h4-10H,3,11H2,1-2H3