S-[2-[[1-[(5-methylfuran-2-yl)methyl]aziridin-2-yl]carbonylamino]ethyl] benzenecarbothioate

Systemtic Name: S-[2-[[1-[(5-methylfuran-2-yl)methyl]aziridin-2-yl]carbonylamino]ethyl] benzenecarbothioate Openeye Name: S-[2-[[1-[(5-methyl-2-furyl)methyl]aziridine-2-carbonyl]amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[[1-[(5-methyl-2-furanyl)methyl]-2-aziridinyl]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[[1-[(5-methylfuran-2-yl)methyl]aziridine-2-carbonyl]amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[1-[(5-methyl-2-furyl)methyl]ethylenimine-2-carbonyl]amino]ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2CC2C(=O)NCCSC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)CN2CC2C(=O)NCCSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O3S/c1-13-7-8-15(23-13)11-20-12-16(20)17(21)19-9-10-24-18(22)14-5-3-2-4-6-14/h2-8,16H,9-12H2,1H3,(H,19,21)