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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxidanylidene-chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxo-chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-8-methyl-4-oxochromen-7-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(1,3-benzothiazol-2-yl)-2-ethyl-4-keto-8-methyl-chromen-7-yl] ester Formula: C27H21NO4S MolecularWeight: 455.52494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C3=CC=C(C=C3)C)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C3=CC=C(C=C3)C)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H21NO4S/c1-4-20-23(26-28-19-7-5-6-8-22(19)33-26)24(29)18-13-14-21(16(3)25(18)31-20)32-27(30)17-11-9-15(2)10-12-17/h5-14H,4H2,1-3H3