ethyl 1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-3-oxidanylidene-piperazine-2-carboxylate

Systemtic Name: ethyl 1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-3-oxidanylidene-piperazine-2-carboxylate Openeye Name: ethyl 1-(3-chlorobenzothiophene-2-carbonyl)-3-oxo-piperazine-2-carboxylate CAS Name: 1-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-3-oxo-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)-3-oxopiperazine-2-carboxylate Traditional Name: 1-(3-chlorobenzothiophene-2-carbonyl)-3-keto-piperazine-2-carboxylic acid ethyl ester Formula: C16H15ClN2O4S MolecularWeight: 366.8193

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)NCCN1C(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)C1C(=O)NCCN1C(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H15ClN2O4S/c1-2-23-16(22)12-14(20)18-7-8-19(12)15(21)13-11(17)9-5-3-4-6-10(9)24-13/h3-6,12H,2,7-8H2,1H3,(H,18,20)