[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl] 3-methoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl] 3-methoxybenzoate Openeye Name: [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-oxo-2-[(4-phenyl-2-thiazolyl)-prop-2-enylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCC(=O)N(CC=C)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCC(=O)N(CC=C)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S/c1-3-12-24(22-23-19(15-29-22)16-8-5-4-6-9-16)20(25)14-28-21(26)17-10-7-11-18(13-17)27-2/h3-11,13,15H,1,12,14H2,2H3