methyl 4-[(E)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[4-(1,3-benzothiazol-2-yl)piperidino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H22N2O3S/c1-28-23(27)18-9-6-16(7-10-18)8-11-21(26)25-14-12-17(13-15-25)22-24-19-4-2-3-5-20(19)29-22/h2-11,17H,12-15H2,1H3/b11-8+