S-heptyl (2R,3S)-3-[bis(phenylmethyl)carbamoyl]oxirane-2-carbothioate

Systemtic Name: S-heptyl (2R,3S)-3-[bis(phenylmethyl)carbamoyl]oxirane-2-carbothioate Openeye Name: S-heptyl (2R,3S)-3-(dibenzylcarbamoyl)oxirane-2-carbothioate CAS Name: (2R,3S)-3-[[bis(phenylmethyl)amino]-oxomethyl]-2-oxiranecarbothioic acid S-heptyl ester IUPAC Name: S-heptyl (2R,3S)-3-(dibenzylcarbamoyl)oxirane-2-carbothioate Traditional Name: (2R,3S)-3-(dibenzylcarbamoyl)oxirane-2-carbothioic acid S-heptyl ester Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC(=O)C1C(O1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCSC(=O)[C@H]1[C@H](O1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H31NO3S/c1-2-3-4-5-12-17-30-25(28)23-22(29-23)24(27)26(18-20-13-8-6-9-14-20)19-21-15-10-7-11-16-21/h6-11,13-16,22-23H,2-5,12,17-19H2,1H3/t22-,23+/m0/s1