[3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] thiophene-2-carboxylate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] thiophene-2-carboxylate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-isopropyl-8-methyl-4-oxo-chromen-7-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-propan-2-ylchromen-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-keto-8-methyl-chromen-7-yl] ester Formula: C25H19NO4S2 MolecularWeight: 461.55266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(C)C)OC(=O)C5=CC=CS5

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(C)C)OC(=O)C5=CC=CS5

InChI

InChI=1S/C25H19NO4S2/c1-13(2)22-20(24-26-16-7-4-5-8-18(16)32-24)21(27)15-10-11-17(14(3)23(15)30-22)29-25(28)19-9-6-12-31-19/h4-13H,1-3H3