2-[(3S)-3-[[(2S)-1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[(3S)-3-[[(2S)-1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-3-[[(1S)-1-ethoxycarbonyl-3-methylsulfanyl-propyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[(3S)-3-[[(2S)-1-ethoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[(3S)-3-[[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[(3S)-3-[[(1S)-1-carbethoxy-3-(methylthio)propyl]amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC1CCC2=CC=CC=C2N(C1=O)CC(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CCSC)N[C@H]1CCC2=CC=CC=C2N(C1=O)CC(=O)O

InChI

InChI=1S/C19H26N2O5S/c1-3-26-19(25)15(10-11-27-2)20-14-9-8-13-6-4-5-7-16(13)21(18(14)24)12-17(22)23/h4-7,14-15,20H,3,8-12H2,1-2H3,(H,22,23)/t14-,15-/m0/s1