[4-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)phenyl]methanesulfonic acid

Systemtic Name: [4-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)phenyl]methanesulfonic acid Openeye Name: [4-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl)phenyl]methanesulfonic acid CAS Name: [4-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)phenyl]methanesulfonic acid IUPAC Name: [4-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)phenyl]methanesulfonic acid Traditional Name: [4-(2-acetamido-2-carbethoxy-3-ethoxy-3-keto-propyl)phenyl]methanesulfonic acid Formula: C17H23NO8S MolecularWeight: 401.43142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)CS(=O)(=O)O)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)CS(=O)(=O)O)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C17H23NO8S/c1-4-25-15(20)17(18-12(3)19,16(21)26-5-2)10-13-6-8-14(9-7-13)11-27(22,23)24/h6-9H,4-5,10-11H2,1-3H3,(H,18,19)(H,22,23,24)