[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C18H15Cl2NO4 MolecularWeight: 380.222

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1[C@@H](COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H15Cl2NO4/c19-13-2-1-3-15(8-13)21-17(22)10-25-18(23)12-6-11-7-14(20)4-5-16(11)24-9-12/h1-5,7-8,12H,6,9-10H2,(H,21,22)/t12-/m0/s1