2-[7-[(4R)-4-[(5-chloranylthiophen-2-yl)carbonylamino]-2-oxidanylidene-pyrrolidin-1-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanoic acid

Systemtic Name: 2-[7-[(4R)-4-[(5-chloranylthiophen-2-yl)carbonylamino]-2-oxidanylidene-pyrrolidin-1-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanoic acid Openeye Name: 2-[7-[(4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-oxo-pyrrolidin-1-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]acetic acid CAS Name: 2-[7-[(4R)-4-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]-2-oxo-1-pyrrolidinyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]acetic acid IUPAC Name: 2-[7-[(4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-oxopyrrolidin-1-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]acetic acid Traditional Name: 2-[7-[(4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-keto-pyrrolidino]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]acetic acid Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=C1C=CC(=C2)N3CC(CC3=O)NC(=O)C4=CC=C(S4)Cl)CC(=O)O

Isomeric SMILES

C1CN(CCC2=C1C=CC(=C2)N3C[C@@H](CC3=O)NC(=O)C4=CC=C(S4)Cl)CC(=O)O

InChI

InChI=1S/C21H22ClN3O4S/c22-18-4-3-17(30-18)21(29)23-15-10-19(26)25(11-15)16-2-1-13-5-7-24(12-20(27)28)8-6-14(13)9-16/h1-4,9,15H,5-8,10-12H2,(H,23,29)(H,27,28)/t15-/m1/s1