(3R)-2-[[(4S)-2-oxidanylidene-1,3-thiazolidin-4-yl]carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-[[(4S)-2-oxidanylidene-1,3-thiazolidin-4-yl]carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-[(4S)-2-oxothiazolidine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[oxo-[(4S)-2-oxo-4-thiazolidinyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-[(4S)-2-oxo-1,3-thiazolidine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[(4S)-2-ketothiazolidine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C14H13N2O4S- MolecularWeight: 305.32902

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3CSC(=O)N3)C(=O)[O-]

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)C(=O)[C@H]3CSC(=O)N3)C(=O)[O-]

InChI

InChI=1S/C14H14N2O4S/c17-12(10-7-21-14(20)15-10)16-6-9-4-2-1-3-8(9)5-11(16)13(18)19/h1-4,10-11H,5-7H2,(H,15,20)(H,18,19)/p-1/t10-,11-/m1/s1