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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 4-methoxybenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-isopropyl-4-oxo-chromen-7-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-propan-2-ylchromen-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-isopropyl-4-keto-chromen-7-yl] ester Formula: C29H25NO5S MolecularWeight: 499.5775

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25NO5S/c1-5-17-14-20-23(15-22(17)35-29(32)18-10-12-19(33-4)13-11-18)34-27(16(2)3)25(26(20)31)28-30-21-8-6-7-9-24(21)36-28/h6-16H,5H2,1-4H3