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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H14ClNO4 MolecularWeight: 307.72896

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1CC2=C(C=CC(=C2)Cl)OC1

Isomeric SMILES

C#CCNC(=O)COC(=O)[C@H]1CC2=C(C=CC(=C2)Cl)OC1

InChI

InChI=1S/C15H14ClNO4/c1-2-5-17-14(18)9-21-15(19)11-6-10-7-12(16)3-4-13(10)20-8-11/h1,3-4,7,11H,5-6,8-9H2,(H,17,18)/t11-/m0/s1