methyl (2S)-4-[[(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2S)-4-[[(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2S)-4-[(3S)-6-chlorochromane-3-carbonyl]thiomorpholine-2-carboxylate CAS Name: (2S)-4-[[(3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]thiomorpholine-2-carboxylate Traditional Name: (2S)-4-[(3S)-6-chlorochroman-3-carbonyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H18ClNO4S MolecularWeight: 355.83642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

COC(=O)[C@@H]1CN(CCS1)C(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C16H18ClNO4S/c1-21-16(20)14-8-18(4-5-23-14)15(19)11-6-10-7-12(17)2-3-13(10)22-9-11/h2-3,7,11,14H,4-6,8-9H2,1H3/t11-,14-/m0/s1