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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-4-oxidanylidene-chromen-7-yl] 3,4-dimethoxybenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-4-oxo-chromen-7-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-2-ethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2-ethyl-4-oxochromen-7-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-2-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(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC)OC)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)OC)OC)C4=NC5=CC=CC=C5S4

InChI

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