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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-chromen-7-yl] propanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-chromen-7-yl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-chromen-7-yl] ester Formula: C20H15NO4S MolecularWeight: 365.4024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCC(=O)OC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H15NO4S/c1-3-17(22)25-15-9-8-12-18(23)13(10-24-19(12)11(15)2)20-21-14-6-4-5-7-16(14)26-20/h4-10H,3H2,1-2H3