ethyl 4-[2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-chloro-1,3-benzoxazol-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(O2)C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(O2)C=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN3O4S/c1-2-23-16(22)20-7-5-19(6-8-20)14(21)10-25-15-18-12-4-3-11(17)9-13(12)24-15/h3-4,9H,2,5-8,10H2,1H3