2-[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(3R)-3-acetamido-1-oxo-3-phenylpropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c1-12(24)22-15(13-7-3-2-4-8-13)11-17(25)23-20-18(19(21)26)14-9-5-6-10-16(14)27-20/h2-4,7-8,15H,5-6,9-11H2,1H3,(H2,21,26)(H,22,24)(H,23,25)/t15-/m1/s1