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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxidanylidene-chromen-7-yl] 4-chloranylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxo-chromen-7-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-keto-chromen-7-yl] ester Formula: C27H20ClNO4S MolecularWeight: 489.97

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H20ClNO4S/c1-3-15-13-18-22(14-21(15)33-27(31)16-9-11-17(28)12-10-16)32-20(4-2)24(25(18)30)26-29-19-7-5-6-8-23(19)34-26/h5-14H,3-4H2,1-2H3