(phenylmethyl) 2-[4-[2,5-bis(chloranyl)thiophen-3-yl]carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[2,5-bis(chloranyl)thiophen-3-yl]carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(2,5-dichlorothiophene-3-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(2,5-dichloro-3-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2,5-dichlorothiophene-3-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(2,5-dichlorothiophene-3-carbonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C19H20Cl2N2O3S MolecularWeight: 427.3447

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(SC(=C2)Cl)Cl)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(SC(=C2)Cl)Cl)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20Cl2N2O3S/c20-16-11-15(18(21)27-16)19(25)23-8-4-7-22(9-10-23)12-17(24)26-13-14-5-2-1-3-6-14/h1-3,5-6,11H,4,7-10,12-13H2