methyl (2S)-4-methyl-2-[[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[(6R)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[(6R)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]valeric acid methyl ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC=C2C(=O)N[C@@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C17H25NO3S/c1-10(2)7-14(17(20)21-4)18-16(19)13-9-22-15-8-11(3)5-6-12(13)15/h9-11,14H,5-8H2,1-4H3,(H,18,19)/t11-,14+/m1/s1