tert-butyl 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(3-chlorobenzothiophene-2-carbonyl)-1,4-diazepane-1-carboxylate CAS Name: 4-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-chloro-1-benzothiophene-2-carbonyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-chlorobenzothiophene-2-carbonyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C19H23ClN2O3S MolecularWeight: 394.91552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H23ClN2O3S/c1-19(2,3)25-18(24)22-10-6-9-21(11-12-22)17(23)16-15(20)13-7-4-5-8-14(13)26-16/h4-5,7-8H,6,9-12H2,1-3H3