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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] 3,4-dimethoxybenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic 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] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-2-methyl-chromen-7-yl] ester Formula: C28H23NO6S MolecularWeight: 501.55032

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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)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H23NO6S/c1-5-16-12-18-22(14-21(16)35-28(31)17-10-11-20(32-3)23(13-17)33-4)34-15(2)25(26(18)30)27-29-19-8-6-7-9-24(19)36-27/h6-14H,5H2,1-4H3