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

Systemtic Name: methyl 3-[2-(1,3-benzothiazol-2-ylcarbonylimino)-6-methyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(1,3-benzothiazole-2-carbonylimino)-6-methyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1,3-benzothiazole-2-carbonylimino)-6-methyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(1,3-benzothiazole-2-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=NC4=CC=CC=C4S3)S2)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CCC(=O)OC

InChI

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