methyl 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]-3-hydroxy-propanoate CAS Name: 2-[[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-3-hydroxypropanoate Traditional Name: 2-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C15H21NO4S/c1-3-9-4-5-12-10(6-9)7-13(21-12)14(18)16-11(8-17)15(19)20-2/h7,9,11,17H,3-6,8H2,1-2H3,(H,16,18)