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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxidanylidene-chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxo-chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxochromen-7-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-keto-chromen-7-yl] ester Formula: C28H23NO4S MolecularWeight: 469.55152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CC)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CC)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H23NO4S/c1-4-17-14-19-23(15-22(17)33-28(31)18-12-10-16(3)11-13-18)32-21(5-2)25(26(19)30)27-29-20-8-6-7-9-24(20)34-27/h6-15H,4-5H2,1-3H3