ethyl 2-benzamido-2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethanoate

Systemtic Name: ethyl 2-benzamido-2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethanoate Openeye Name: ethyl 2-benzamido-2-(1-methyl-4-nitrososulfanyl-4-piperidyl)acetate CAS Name: 2-benzamido-2-[1-methyl-4-(nitrosothio)-4-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-benzamido-2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)acetate Traditional Name: 2-benzamido-2-[1-methyl-4-(nitrosothio)-4-piperidyl]acetic acid ethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1(CCN(CC1)C)SN=O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C1(CCN(CC1)C)SN=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H23N3O4S/c1-3-24-16(22)14(18-15(21)13-7-5-4-6-8-13)17(25-19-23)9-11-20(2)12-10-17/h4-8,14H,3,9-12H2,1-2H3,(H,18,21)