ethyl (4S)-2-(2-azanylethanoylamino)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (4S)-2-(2-azanylethanoylamino)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (4S)-2-[(2-aminoacetyl)amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (4S)-2-[(2-amino-1-oxoethyl)amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-[(2-aminoacetyl)amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (4S)-2-(glycylamino)-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)CN

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1[C@H](CCC2)C)NC(=O)CN

InChI

InChI=1S/C14H20N2O3S/c1-3-19-14(18)12-11-8(2)5-4-6-9(11)20-13(12)16-10(17)7-15/h8H,3-7,15H2,1-2H3,(H,16,17)/t8-/m0/s1