methyl 3-[6-chloranyl-2-(4-ethanoylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-chloranyl-2-(4-ethanoylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-acetylbenzoyl)imino-6-chloro-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-acetylphenyl)-oxomethyl]imino-6-chloro-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-acetylbenzoyl)imino-6-chloro-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-acetylbenzoyl)imino-6-chloro-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CCC(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CCC(=O)OC

InChI

InChI=1S/C20H17ClN2O4S/c1-12(24)13-3-5-14(6-4-13)19(26)22-20-23(10-9-18(25)27-2)16-8-7-15(21)11-17(16)28-20/h3-8,11H,9-10H2,1-2H3