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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl] 3,4-dimethoxybenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-chromen-7-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxochromen-7-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-chromen-7-yl] ester Formula: C27H21NO6S MolecularWeight: 487.52374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C27H21NO6S/c1-4-15-11-17-22(13-21(15)34-27(30)16-9-10-20(31-2)23(12-16)32-3)33-14-18(25(17)29)26-28-19-7-5-6-8-24(19)35-26/h5-14H,4H2,1-3H3