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

Systemtic Name: methyl 3-[6-chloranyl-2-(4-ethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-chloro-2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-chloro-2-[(4-ethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-chloro-2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-chloro-2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propionic 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=C(C=C3)Cl)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S/c1-3-27-15-7-4-13(5-8-15)19(25)22-20-23(11-10-18(24)26-2)16-9-6-14(21)12-17(16)28-20/h4-9,12H,3,10-11H2,1-2H3