[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)COC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

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