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

Systemtic Name: methyl 2-(1,3-benzothiazol-2-ylcarbonylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-(1,3-benzothiazole-2-carbonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazole-2-carbonylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(1,3-benzothiazole-2-carbonylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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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/C20H15N3O3S2/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/h3-9,11H,1,10H2,2H3