O-ethyl [(3S,4S)-4-(benzotriazol-1-ylmethyl)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [(3S,4S)-4-(benzotriazol-1-ylmethyl)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanylmethanethioate Openeye Name: O-ethyl [(3S,4S)-4-(benzotriazol-1-ylmethyl)-2,5-dioxo-1-phenyl-pyrrolidin-3-yl]sulfanylmethanethioate CAS Name: [[(3S,4S)-4-(1-benzotriazolylmethyl)-2,5-dioxo-1-phenyl-3-pyrrolidinyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [(3S,4S)-4-(benzotriazol-1-ylmethyl)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylmethanethioate Traditional Name: [[(3S,4S)-4-(benzotriazol-1-ylmethyl)-2,5-diketo-1-phenyl-pyrrolidin-3-yl]thio]methanethioic acid O-ethyl ester Formula: C20H18N4O3S2 MolecularWeight: 426.51192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1C(C(=O)N(C1=O)C2=CC=CC=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=S)S[C@H]1[C@H](C(=O)N(C1=O)C2=CC=CC=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H18N4O3S2/c1-2-27-20(28)29-17-14(12-23-16-11-7-6-10-15(16)21-22-23)18(25)24(19(17)26)13-8-4-3-5-9-13/h3-11,14,17H,2,12H2,1H3/t14-,17+/m1/s1