2-[[(3S)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[[(3S)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: 2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 2-[[(3S)-2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl]thio]nicotinate Formula: C16H13N2O3S- MolecularWeight: 313.35102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)[C@H]1SC3=C(C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c19-14-13(8-7-10-4-1-2-6-12(10)18-14)22-15-11(16(20)21)5-3-9-17-15/h1-6,9,13H,7-8H2,(H,18,19)(H,20,21)/p-1/t13-/m0/s1