[3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-chromen-7-yl] 2-methylpropanoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-chromen-7-yl] 2-methylpropanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-chromen-7-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxochromen-7-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-chromen-7-yl] ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)OC(=O)C(C)C

Isomeric SMILES

CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)OC(=O)C(C)C

InChI

InChI=1S/C21H17NO4S/c1-11(2)21(24)26-16-9-8-13-18(23)14(10-25-19(13)12(16)3)20-22-15-6-4-5-7-17(15)27-20/h4-11H,1-3H3