methyl 3-[2-(1,3-benzothiazol-6-ylcarbonylimino)-6-methyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(1,3-benzothiazol-6-ylcarbonylimino)-6-methyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(1,3-benzothiazole-6-carbonylimino)-6-methyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1,3-benzothiazole-6-carbonylimino)-6-methyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(1,3-benzothiazole-6-carbonylimino)-6-methyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CCC(=O)OC

InChI

InChI=1S/C20H17N3O3S2/c1-12-3-6-15-17(9-12)28-20(23(15)8-7-18(24)26-2)22-19(25)13-4-5-14-16(10-13)27-11-21-14/h3-6,9-11H,7-8H2,1-2H3