[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)OC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C18H18ClNO4S/c1-11(17(21)20-9-15-3-2-6-25-15)24-18(22)13-7-12-8-14(19)4-5-16(12)23-10-13/h2-6,8,11,13H,7,9-10H2,1H3,(H,20,21)/t11-,13+/m1/s1