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

Systemtic Name: 4-[[(6S)-3-(cyclopropylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(6S)-3-(cyclopropylcarbamoyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(6S)-3-[(cyclopropylamino)-oxomethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(6S)-3-(cyclopropylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(6S)-3-(cyclopropylcarbamoyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyrate Formula: C17H21N2O4S- MolecularWeight: 349.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-9-2-5-11-12(8-9)24-17(19-13(20)6-7-14(21)22)15(11)16(23)18-10-3-4-10/h9-10H,2-8H2,1H3,(H,18,23)(H,19,20)(H,21,22)/p-1/t9-/m0/s1