(2S)-2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: (2S)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(2-thienylmethyl)propanamide CAS Name: (2S)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: (2S)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: (2S)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(2-thenyl)propionamide Formula: C16H16ClNO3S2 MolecularWeight: 369.88614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)SCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)SCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H16ClNO3S2/c1-10(16(19)18-7-12-3-2-4-22-12)23-8-11-5-13(17)15-14(6-11)20-9-21-15/h2-6,10H,7-9H2,1H3,(H,18,19)/t10-/m0/s1