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

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1CC2=C(C=CC(=C2)Cl)OC1

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClNO4/c1-3-10(2)18-15(19)9-22-16(20)12-6-11-7-13(17)4-5-14(11)21-8-12/h4-5,7,10,12H,3,6,8-9H2,1-2H3,(H,18,19)/t10-,12-/m0/s1