methyl (3S)-2,2-dimethyl-4-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-thiazepane-3-carboxylate

Systemtic Name: methyl (3S)-2,2-dimethyl-4-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-thiazepane-3-carboxylate Openeye Name: methyl (3S)-2,2-dimethyl-4-[[5-(2-pyridyl)-2-thienyl]sulfonyl]-1,4-thiazepane-3-carboxylate CAS Name: (3S)-2,2-dimethyl-4-[[5-(2-pyridinyl)-2-thiophenyl]sulfonyl]-1,4-thiazepane-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2,2-dimethyl-4-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-thiazepane-3-carboxylate Traditional Name: (3S)-2,2-dimethyl-4-[[5-(2-pyridyl)-2-thienyl]sulfonyl]-1,4-thiazepane-3-carboxylic acid methyl ester Formula: C18H22N2O4S3 MolecularWeight: 426.57328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCCS1)S(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3)C(=O)OC)C

Isomeric SMILES

CC1([C@@H](N(CCCS1)S(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3)C(=O)OC)C

InChI

InChI=1S/C18H22N2O4S3/c1-18(2)16(17(21)24-3)20(11-6-12-25-18)27(22,23)15-9-8-14(26-15)13-7-4-5-10-19-13/h4-5,7-10,16H,6,11-12H2,1-3H3/t16-/m0/s1