(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C18H14ClNO4S MolecularWeight: 375.82606

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1[C@@H](COC2=C1C=C(C=C2)Cl)C(=O)OCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C18H14ClNO4S/c19-13-3-4-15-11(7-13)6-12(9-22-15)18(21)23-10-14-8-16(24-20-14)17-2-1-5-25-17/h1-5,7-8,12H,6,9-10H2/t12-/m0/s1