ethyl 4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H18ClN3O3S2 MolecularWeight: 399.91542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C16H18ClN3O3S2/c1-2-23-16(22)20-7-5-19(6-8-20)14(21)10-24-15-18-12-9-11(17)3-4-13(12)25-15/h3-4,9H,2,5-8,10H2,1H3