S-methyl 4-[bis(phenylmethyl)amino]-4-methyl-pent-2-ynethioate

Systemtic Name: S-methyl 4-[bis(phenylmethyl)amino]-4-methyl-pent-2-ynethioate Openeye Name: S-methyl 4-(dibenzylamino)-4-methyl-pent-2-ynethioate CAS Name: 4-[bis(phenylmethyl)amino]-4-methyl-2-pentynethioic acid S-methyl ester IUPAC Name: S-methyl 4-(dibenzylamino)-4-methylpent-2-ynethioate Traditional Name: 4-(dibenzylamino)-4-methyl-pent-2-ynethioic acid S-methyl ester Formula: C21H23NOS MolecularWeight: 337.47842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC(=O)SC)N(CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C#CC(=O)SC)N(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C21H23NOS/c1-21(2,15-14-20(23)24-3)22(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13H,16-17H2,1-3H3