methyl 2-[7-chloranyl-4-methoxy-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[7-chloranyl-4-methoxy-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[7-chloro-4-methoxy-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[7-chloro-4-methoxy-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-chloro-4-methoxy-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(7-chloro-2-hydrocinnamoylimino-4-methoxy-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=NC(=O)CCC3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=NC(=O)CCC3=CC=CC=C3)N2CC(=O)OC

InChI

InChI=1S/C20H19ClN2O4S/c1-26-15-10-9-14(21)19-18(15)23(12-17(25)27-2)20(28-19)22-16(24)11-8-13-6-4-3-5-7-13/h3-7,9-10H,8,11-12H2,1-2H3