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

Systemtic Name: 5-[[(6S)-6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[(6S)-6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[(6S)-3-[anilino(oxo)methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate IUPAC Name: 5-[[(6S)-6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[(6S)-6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]valerate Formula: C21H23N2O4S- MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C21H24N2O4S/c1-13-10-11-15-16(12-13)28-21(23-17(24)8-5-9-18(25)26)19(15)20(27)22-14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)/p-1/t13-/m0/s1