[5-chloranyl-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] thiophene-2-carboxylate

Systemtic Name: [5-chloranyl-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] thiophene-2-carboxylate Openeye Name: (3-benzyl-5-chloro-2-oxo-chromen-4-yl) thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [5-chloro-2-oxo-3-(phenylmethyl)-1-benzopyran-4-yl] ester IUPAC Name: (3-benzyl-5-chloro-2-oxochromen-4-yl) thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (3-benzyl-5-chloro-2-keto-chromen-4-yl) ester Formula: C21H13ClO4S MolecularWeight: 396.84352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=C(C=CC=C3Cl)OC2=O)OC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=C(C=CC=C3Cl)OC2=O)OC(=O)C4=CC=CS4

InChI

InChI=1S/C21H13ClO4S/c22-15-8-4-9-16-18(15)19(26-21(24)17-10-5-11-27-17)14(20(23)25-16)12-13-6-2-1-3-7-13/h1-11H,12H2