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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] propanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl] propanoate CAS Name: propanoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] propanoate Traditional Name: propionic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-2-methyl-chromen-7-yl] ester Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OC(=O)CC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OC(=O)CC

InChI

InChI=1S/C22H19NO4S/c1-4-13-10-14-17(11-16(13)27-19(24)5-2)26-12(3)20(21(14)25)22-23-15-8-6-7-9-18(15)28-22/h6-11H,4-5H2,1-3H3