(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide CAS Name: (3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Traditional Name: (3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-keto-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)C(C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CC(=O)N(C3)[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-3-28-17-9-10-18-19(12-17)29-22(23-18)24-21(27)16-11-20(26)25(13-16)14(2)15-7-5-4-6-8-15/h4-10,12,14,16H,3,11,13H2,1-2H3,(H,23,24,27)/t14-,16+/m1/s1