ethyl 2-[2-(3-bromophenyl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(3-bromophenyl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3-bromobenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-bromophenyl)-oxomethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-bromobenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-bromobenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)Br)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)Br)S2)CC(=O)OCC

InChI

InChI=1S/C20H19BrN2O4S/c1-3-26-15-8-9-16-17(11-15)28-20(23(16)12-18(24)27-4-2)22-19(25)13-6-5-7-14(21)10-13/h5-11H,3-4,12H2,1-2H3