2-sulfanylethyl 6-[(4S)-4-(phenylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylate

Systemtic Name: 2-sulfanylethyl 6-[(4S)-4-(phenylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylate Openeye Name: 2-sulfanylethyl 6-[(4S)-4-benzyl-4,5-dihydrooxazol-2-yl]pyridine-3-carboxylate CAS Name: 6-[(4S)-4-(phenylmethyl)-4,5-dihydrooxazol-2-yl]-3-pyridinecarboxylic acid 2-mercaptoethyl ester IUPAC Name: 2-sulfanylethyl 6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylate Traditional Name: 6-[(4S)-4-benzyl-2-oxazolin-2-yl]nicotinic acid 2-mercaptoethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(O1)C2=NC=C(C=C2)C(=O)OCCS)CC3=CC=CC=C3

Isomeric SMILES

C1[C@@H](N=C(O1)C2=NC=C(C=C2)C(=O)OCCS)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S/c21-18(22-8-9-24)14-6-7-16(19-11-14)17-20-15(12-23-17)10-13-4-2-1-3-5-13/h1-7,11,15,24H,8-10,12H2/t15-/m0/s1