ethyl 2-[7-chloranyl-4-methoxy-2-(4-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[7-chloranyl-4-methoxy-2-(4-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[7-chloro-4-methoxy-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[7-chloro-4-methoxy-2-[(4-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-4-methoxy-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(7-chloro-4-methoxy-2-p-toluoylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)C)Cl)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)C)Cl)OC

InChI

InChI=1S/C20H19ClN2O4S/c1-4-27-16(24)11-23-17-15(26-3)10-9-14(21)18(17)28-20(23)22-19(25)13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3