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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxidanylidene-chromen-7-yl] 2-methoxybenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxo-chromen-7-yl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxochromen-7-yl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-keto-chromen-7-yl] ester Formula: C28H23NO5S MolecularWeight: 485.55092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CC)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=CC=C5OC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CC)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=CC=C5OC

InChI

InChI=1S/C28H23NO5S/c1-4-16-14-18-23(15-22(16)34-28(31)17-10-6-8-12-21(17)32-3)33-20(5-2)25(26(18)30)27-29-19-11-7-9-13-24(19)35-27/h6-15H,4-5H2,1-3H3