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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-6-propyl-chromen-7-yl] acetate CAS Name: acetic acid [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-6-propylchromen-7-yl] acetate Traditional Name: acetic acid [3-(1,3-benzothiazol-2-yl)-4-keto-2-methyl-6-propyl-chromen-7-yl] ester Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OC(=O)C

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OC(=O)C

InChI

InChI=1S/C22H19NO4S/c1-4-7-14-10-15-18(11-17(14)27-13(3)24)26-12(2)20(21(15)25)22-23-16-8-5-6-9-19(16)28-22/h5-6,8-11H,4,7H2,1-3H3