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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 3,4-dimethoxybenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-isopropyl-8-methyl-4-oxo-chromen-7-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-propan-2-ylchromen-7-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-keto-8-methyl-chromen-7-yl] ester Formula: C29H25NO6S MolecularWeight: 515.5769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(C)C)OC(=O)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(C)C)OC(=O)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C29H25NO6S/c1-15(2)26-24(28-30-19-8-6-7-9-23(19)37-28)25(31)18-11-13-20(16(3)27(18)36-26)35-29(32)17-10-12-21(33-4)22(14-17)34-5/h6-15H,1-5H3