methyl 2-[5-chloranyl-2-(4-ethoxyphenyl)carbonylimino-4-methyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5-chloranyl-2-(4-ethoxyphenyl)carbonylimino-4-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5-chloro-2-(4-ethoxybenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-chloro-2-[(4-ethoxyphenyl)-oxomethyl]imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-chloro-2-(4-ethoxybenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-chloro-2-(4-ethoxybenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3C)Cl)CC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3C)Cl)CC(=O)OC

InChI

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