[(2S,3S)-4-oxidanylidene-2-thiophen-3-yl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] cyclobutanecarboxylate

Systemtic Name: [(2S,3S)-4-oxidanylidene-2-thiophen-3-yl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] cyclobutanecarboxylate Openeye Name: [(2S,3S)-4-oxo-2-(3-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [(2S,3S)-4-oxo-2-(3-thiophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2S,3S)-4-oxo-2-thiophen-3-yl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [(2S,3S)-4-keto-2-(3-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester Formula: C18H17NO3S2 MolecularWeight: 359.46248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)OC2C(SC3=CC=CC=C3NC2=O)C4=CSC=C4

Isomeric SMILES

C1CC(C1)C(=O)O[C@@H]2[C@@H](SC3=CC=CC=C3NC2=O)C4=CSC=C4

InChI

InChI=1S/C18H17NO3S2/c20-17-15(22-18(21)11-4-3-5-11)16(12-8-9-23-10-12)24-14-7-2-1-6-13(14)19-17/h1-2,6-11,15-16H,3-5H2,(H,19,20)/t15-,16+/m1/s1