methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: methyl-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: methyl-[[5-(4-morpholinylsulfonyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: methyl-[(5-morpholin-4-ylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: methyl-[(5-morpholinosulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C19H24N3O4S3+ MolecularWeight: 454.60656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH+](C)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

Isomeric SMILES

C[C@@H](C1=CC=CS1)[NH+](C)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

InChI

InChI=1S/C19H23N3O4S3/c1-14(18-4-3-11-28-18)20(2)13-22-16-12-15(5-6-17(16)26-19(22)27)29(23,24)21-7-9-25-10-8-21/h3-6,11-12,14H,7-10,13H2,1-2H3/p+1/t14-/m0/s1