[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate

Systemtic Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate Openeye Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxo-ethyl] 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N2O4S/c24-19(22-10-9-20-23-16-6-2-4-8-18(16)28-20)13-27-21(25)15-11-14-5-1-3-7-17(14)26-12-15/h1-8,11H,9-10,12-13H2,(H,22,24)