2-[3-[(3-methyl-2-sulfanylidene-pentanoyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(3-methyl-2-sulfanylidene-pentanoyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[(3-methyl-2-thioxo-pentanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[(3-methyl-1-oxo-2-sulfanylidenepentyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[(3-methyl-2-sulfanylidenepentanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-[(3-methyl-2-thioxo-pentanoyl)amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=S)C(=O)NC1CCC2=CC=CC=C2N(C1=O)CC(=O)O

Isomeric SMILES

CCC(C)C(=S)C(=O)NC1CCC2=CC=CC=C2N(C1=O)CC(=O)O

InChI

InChI=1S/C18H22N2O4S/c1-3-11(2)16(25)17(23)19-13-9-8-12-6-4-5-7-14(12)20(18(13)24)10-15(21)22/h4-7,11,13H,3,8-10H2,1-2H3,(H,19,23)(H,21,22)