[3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 2-methylpropanoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 2-methylpropanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-oxo-chromen-7-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [3-(1,3-benzothiazol-2-yl)-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-4-oxo-2-propan-2-ylchromen-7-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-keto-chromen-7-yl] ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21NO4S/c1-12(2)21-19(22-24-16-7-5-6-8-18(16)29-22)20(25)15-10-9-14(11-17(15)28-21)27-23(26)13(3)4/h5-13H,1-4H3