(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(4-methoxyphenyl)thio]-N-piperonyl-propionamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H22N2O5S/c1-13(23)22-17(11-28-16-6-4-15(25-2)5-7-16)20(24)21-10-14-3-8-18-19(9-14)27-12-26-18/h3-9,17H,10-12H2,1-2H3,(H,21,24)(H,22,23)/t17-/m1/s1