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

Systemtic Name: O-ethyl [(3S,4S)-4-(benzotriazol-1-ylmethyl)-1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylmethanethioate Openeye Name: O-ethyl [(3S,4S)-4-(benzotriazol-1-ylmethyl)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]sulfanylmethanethioate CAS Name: [[(3S,4S)-4-(1-benzotriazolylmethyl)-1-methyl-2,5-dioxo-3-pyrrolidinyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [(3S,4S)-4-(benzotriazol-1-ylmethyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]sulfanylmethanethioate Traditional Name: [[(3S,4S)-4-(benzotriazol-1-ylmethyl)-2,5-diketo-1-methyl-pyrrolidin-3-yl]thio]methanethioic acid O-ethyl ester Formula: C15H16N4O3S2 MolecularWeight: 364.44254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1C(C(=O)N(C1=O)C)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=S)S[C@H]1[C@H](C(=O)N(C1=O)C)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H16N4O3S2/c1-3-22-15(23)24-12-9(13(20)18(2)14(12)21)8-19-11-7-5-4-6-10(11)16-17-19/h4-7,9,12H,3,8H2,1-2H3/t9-,12+/m1/s1