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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxidanylidene-chromen-7-yl] thiophene-2-carboxylate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxo-chromen-7-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic 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] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-keto-chromen-7-yl] ester Formula: C25H19NO4S2 MolecularWeight: 461.55266

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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=CS5

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CC)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=CS5

InChI

InChI=1S/C25H19NO4S2/c1-3-14-12-15-19(13-18(14)30-25(28)21-10-7-11-31-21)29-17(4-2)22(23(15)27)24-26-16-8-5-6-9-20(16)32-24/h5-13H,3-4H2,1-2H3