2-[2-oxidanylidene-3-[(3-phenyl-2-sulfanylidene-butanoyl)amino]-5H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-[(3-phenyl-2-sulfanylidene-butanoyl)amino]-5H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-3-[(3-phenyl-2-thioxo-butanoyl)amino]-5H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[2-oxo-3-[(1-oxo-3-phenyl-2-sulfanylidenebutyl)amino]-5H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[2-oxo-3-[(3-phenyl-2-sulfanylidenebutanoyl)amino]-5H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-[(3-phenyl-2-thioxo-butanoyl)amino]-5H-1-benzazepin-1-yl]acetic acid Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=S)C(=O)NC2=CCC3=CC=CC=C3N(C2=O)CC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(=S)C(=O)NC2=CCC3=CC=CC=C3N(C2=O)CC(=O)O

InChI

InChI=1S/C22H20N2O4S/c1-14(15-7-3-2-4-8-15)20(29)21(27)23-17-12-11-16-9-5-6-10-18(16)24(22(17)28)13-19(25)26/h2-10,12,14H,11,13H2,1H3,(H,23,27)(H,25,26)