[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C18H20N2O4S2/c1-3-14(16(21)19-15-10-11(2)24-20-15)23-17(22)12-4-6-13(7-5-12)18-25-8-9-26-18/h4-7,10,14,18H,3,8-9H2,1-2H3,(H,19,20,21)