2-[(3S)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]ethanoic acid

Systemtic Name: 2-[(3S)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]ethanoic acid Openeye Name: 2-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetic acid CAS Name: 2-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetic acid IUPAC Name: 2-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetic acid Traditional Name: 2-[(3S)-4-keto-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetic acid Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=CC=CC=C2S1)CC(=O)O

Isomeric SMILES

C1[C@H](C(=O)NC2=CC=CC=C2S1)CC(=O)O

InChI

InChI=1S/C11H11NO3S/c13-10(14)5-7-6-16-9-4-2-1-3-8(9)12-11(7)15/h1-4,7H,5-6H2,(H,12,15)(H,13,14)/t7-/m1/s1