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

Systemtic Name: methyl 3-[2-(4-ethoxyphenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-ethoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-ethoxyphenyl)-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-ethoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-ethoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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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)C)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-4-27-16-8-6-15(7-9-16)20(25)22-21-23(12-11-19(24)26-3)17-10-5-14(2)13-18(17)28-21/h5-10,13H,4,11-12H2,1-3H3