[2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate

Systemtic Name: [2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate Openeye Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N

Isomeric SMILES

CC(=O)NCCC(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N

InChI

InChI=1S/C16H21N3O5S/c1-9(20)18-7-6-13(22)24-8-12(21)19-16-14(15(17)23)10-4-2-3-5-11(10)25-16/h2-8H2,1H3,(H2,17,23)(H,18,20)(H,19,21)