methyl 6-(2-azanyl-2-oxidanylidene-ethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate

Systemtic Name: methyl 6-(2-azanyl-2-oxidanylidene-ethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Openeye Name: methyl 6-(2-amino-2-oxo-ethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 6-(2-amino-2-oxoethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl 6-(2-amino-2-oxoethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: 6-(2-amino-2-keto-ethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid methyl ester Formula: C20H26N2O6S2 MolecularWeight: 454.56024

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)OC)(C)C)CC(=O)N

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)OC)(C)C)CC(=O)N

InChI

InChI=1S/C20H26N2O6S2/c1-5-6-11-28-14-7-9-16(10-8-14)30(25,26)22-13-15(12-17(21)23)29-20(2,3)18(22)19(24)27-4/h7-10,15,18H,11-13H2,1-4H3,(H2,21,23)