methyl (Z,2S)-2-(dimethylamino)-4,5-bis(phenoxycarbothioylamino)pent-4-enoate

Systemtic Name: methyl (Z,2S)-2-(dimethylamino)-4,5-bis(phenoxycarbothioylamino)pent-4-enoate Openeye Name: methyl (Z,2S)-2-(dimethylamino)-4,5-bis(phenoxycarbothioylamino)pent-4-enoate CAS Name: (Z,2S)-2-(dimethylamino)-4,5-bis[[phenoxy(sulfanylidene)methyl]amino]-4-pentenoic acid methyl ester IUPAC Name: methyl (Z,2S)-2-(dimethylamino)-4,5-bis(phenoxycarbothioylamino)pent-4-enoate Traditional Name: (Z,2S)-2-(dimethylamino)-4,5-bis(phenoxycarbothioylamino)pent-4-enoic acid methyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC(=CNC(=S)OC1=CC=CC=C1)NC(=S)OC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN(C)[C@@H](C/C(=C/NC(=S)OC1=CC=CC=C1)/NC(=S)OC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H25N3O4S2/c1-25(2)19(20(26)27-3)14-16(24-22(31)29-18-12-8-5-9-13-18)15-23-21(30)28-17-10-6-4-7-11-17/h4-13,15,19H,14H2,1-3H3,(H,23,30)(H,24,31)/b16-15-/t19-/m0/s1