2-(4-chlorophenyl)sulfanylethyl 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C18H13ClO4S MolecularWeight: 360.81142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClO4S/c19-13-5-7-14(8-6-13)24-10-9-22-17(20)15-11-12-3-1-2-4-16(12)23-18(15)21/h1-8,11H,9-10H2