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

Systemtic Name: methyl 2-[7-[(4R)-4-[(5-chloranylthiophen-2-yl)carbonylamino]-2-oxidanylidene-pyrrolidin-1-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanoate Openeye Name: methyl 2-[7-[(4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-oxo-pyrrolidin-1-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]acetate 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 methyl ester IUPAC Name: methyl 2-[7-[(4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-oxopyrrolidin-1-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]acetate 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 methyl ester Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCC2=C(CC1)C=C(C=C2)N3CC(CC3=O)NC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

COC(=O)CN1CCC2=C(CC1)C=C(C=C2)N3C[C@@H](CC3=O)NC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H24ClN3O4S/c1-30-21(28)13-25-8-6-14-2-3-17(10-15(14)7-9-25)26-12-16(11-20(26)27)24-22(29)18-4-5-19(23)31-18/h2-5,10,16H,6-9,11-13H2,1H3,(H,24,29)/t16-/m1/s1