methyl 3-[6-(2-methylphenyl)carbonylimino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoate

Systemtic Name: methyl 3-[6-(2-methylphenyl)carbonylimino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoate Openeye Name: methyl 3-[6-(2-methylbenzoyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoate CAS Name: 3-[6-[(2-methylphenyl)-oxomethyl]imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-(2-methylbenzoyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoate Traditional Name: 3-(6-o-toluoylimino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl)propionic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N=C2N(C3=CC4=C(C=C3S2)OCO4)CCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N=C2N(C3=CC4=C(C=C3S2)OCO4)CCC(=O)OC

InChI

InChI=1S/C20H18N2O5S/c1-12-5-3-4-6-13(12)19(24)21-20-22(8-7-18(23)25-2)14-9-15-16(27-11-26-15)10-17(14)28-20/h3-6,9-10H,7-8,11H2,1-2H3