methyl 2-[6-chloranyl-2-(3-phenoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-chloranyl-2-(3-phenoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-chloro-2-(3-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-chloro-2-[oxo-(3-phenoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-chloro-2-(3-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-chloro-2-(3-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H17ClN2O4S MolecularWeight: 452.91008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H17ClN2O4S/c1-29-21(27)14-26-19-11-10-16(24)13-20(19)31-23(26)25-22(28)15-6-5-9-18(12-15)30-17-7-3-2-4-8-17/h2-13H,14H2,1H3