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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CCC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CCC(=O)OC)C

InChI

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