methyl 3-(cyclopropylcarbonylamino)-2-(7-prop-2-ynylsulfanylnaphthalen-1-yl)propanoate

Systemtic Name: methyl 3-(cyclopropylcarbonylamino)-2-(7-prop-2-ynylsulfanylnaphthalen-1-yl)propanoate Openeye Name: methyl 3-(cyclopropanecarbonylamino)-2-(7-prop-2-ynylsulfanyl-1-naphthyl)propanoate CAS Name: 3-[[cyclopropyl(oxo)methyl]amino]-2-[7-(prop-2-ynylthio)-1-naphthalenyl]propanoic acid methyl ester IUPAC Name: methyl 3-(cyclopropanecarbonylamino)-2-(7-prop-2-ynylsulfanylnaphthalen-1-yl)propanoate Traditional Name: 3-(cyclopropanecarbonylamino)-2-[7-(propargylthio)-1-naphthyl]propionic acid methyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)C1CC1)C2=CC=CC3=C2C=C(C=C3)SCC#C

Isomeric SMILES

COC(=O)C(CNC(=O)C1CC1)C2=CC=CC3=C2C=C(C=C3)SCC#C

InChI

InChI=1S/C21H21NO3S/c1-3-11-26-16-10-9-14-5-4-6-17(18(14)12-16)19(21(24)25-2)13-22-20(23)15-7-8-15/h1,4-6,9-10,12,15,19H,7-8,11,13H2,2H3,(H,22,23)