methyl 2-(1,3-benzothiazol-2-ylcarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(1,3-benzothiazol-2-ylcarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(1,3-benzothiazole-2-carbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazole-2-carbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,3-benzothiazole-2-carbonylimino)-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H13N3O3S2 MolecularWeight: 407.46552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CC#C

InChI

InChI=1S/C20H13N3O3S2/c1-3-10-23-14-9-8-12(19(25)26-2)11-16(14)28-20(23)22-17(24)18-21-13-6-4-5-7-15(13)27-18/h1,4-9,11H,10H2,2H3