(3S)-3-acetamido-N-(1,3-benzothiazol-2-yl)-N-methyl-3-thiophen-2-yl-propanamide

Systemtic Name: (3S)-3-acetamido-N-(1,3-benzothiazol-2-yl)-N-methyl-3-thiophen-2-yl-propanamide Openeye Name: (3S)-3-acetamido-N-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-thienyl)propanamide CAS Name: (3S)-3-acetamido-N-(1,3-benzothiazol-2-yl)-N-methyl-3-thiophen-2-ylpropanamide IUPAC Name: (3S)-3-acetamido-N-(1,3-benzothiazol-2-yl)-N-methyl-3-thiophen-2-ylpropanamide Traditional Name: (3S)-3-acetamido-N-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-thienyl)propionamide Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N(C)C1=NC2=CC=CC=C2S1)C3=CC=CS3

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)N(C)C1=NC2=CC=CC=C2S1)C3=CC=CS3

InChI

InChI=1S/C17H17N3O2S2/c1-11(21)18-13(14-8-5-9-23-14)10-16(22)20(2)17-19-12-6-3-4-7-15(12)24-17/h3-9,13H,10H2,1-2H3,(H,18,21)/t13-/m0/s1