methyl 3-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-(tetralin-6-carbonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(tetralin-6-carbonylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(CCCC4)C=C3)S2)CC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(CCCC4)C=C3)S2)CC=C

InChI

InChI=1S/C23H22N2O3S/c1-3-12-25-19-11-10-18(22(27)28-2)14-20(19)29-23(25)24-21(26)17-9-8-15-6-4-5-7-16(15)13-17/h3,8-11,13-14H,1,4-7,12H2,2H3