methyl 1-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylcarbamoyl]cyclopropane-1-carboxylate

Systemtic Name: methyl 1-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylcarbamoyl]cyclopropane-1-carboxylate Openeye Name: methyl 1-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylcarbamoyl]cyclopropanecarboxylate CAS Name: 1-[[[2-[[2-(hydroxymethyl)phenyl]thio]phenyl]methylamino]-oxomethyl]-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylcarbamoyl]cyclopropane-1-carboxylate Traditional Name: 1-[[2-[(2-methylolphenyl)thio]benzyl]carbamoyl]cyclopropanecarboxylic acid methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC1)C(=O)NCC2=CC=CC=C2SC3=CC=CC=C3CO

Isomeric SMILES

COC(=O)C1(CC1)C(=O)NCC2=CC=CC=C2SC3=CC=CC=C3CO

InChI

InChI=1S/C20H21NO4S/c1-25-19(24)20(10-11-20)18(23)21-12-14-6-2-4-8-16(14)26-17-9-5-3-7-15(17)13-22/h2-9,22H,10-13H2,1H3,(H,21,23)