1,3-benzothiazol-2-ylmethyl-[(3R)-1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(3R)-1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(3R)-2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl]-methyl-ammonium Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O3S/c1-3-27-15-10-8-14(9-11-15)24-20(25)12-17(21(24)26)23(2)13-19-22-16-6-4-5-7-18(16)28-19/h4-11,17H,3,12-13H2,1-2H3/p+1/t17-/m1/s1