[3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-4-oxo-6-propyl-chromen-7-yl] acetate CAS Name: acetic acid [3-(1,3-benzothiazol-2-yl)-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-4-oxo-6-propylchromen-7-yl] acetate Traditional Name: acetic acid [3-(1,3-benzothiazol-2-yl)-4-keto-6-propyl-chromen-7-yl] ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OC(=O)C

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OC(=O)C

InChI

InChI=1S/C21H17NO4S/c1-3-6-13-9-14-18(10-17(13)26-12(2)23)25-11-15(20(14)24)21-22-16-7-4-5-8-19(16)27-21/h4-5,7-11H,3,6H2,1-2H3