4-[[(6S)-3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(6S)-3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(6S)-3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(6S)-3-[(cyclopropylamino)-oxomethyl]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(6S)-3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(6S)-3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyrate Formula: C18H23N2O4S- MolecularWeight: 363.45122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H24N2O4S/c1-2-10-3-6-12-13(9-10)25-18(20-14(21)7-8-15(22)23)16(12)17(24)19-11-4-5-11/h10-11H,2-9H2,1H3,(H,19,24)(H,20,21)(H,22,23)/p-1/t10-/m0/s1