2-[cyclopropylmethyl-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]amino]ethanoic acid

Systemtic Name: 2-[cyclopropylmethyl-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]amino]ethanoic acid Openeye Name: 2-[cyclopropylmethyl-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]acetic acid CAS Name: 2-[cyclopropylmethyl-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[cyclopropylmethyl-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]acetic acid Traditional Name: 2-[cyclopropylmethyl-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]acetic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N(CC3CC3)CC(=O)O

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N(CC3CC3)CC(=O)O

InChI

InChI=1S/C16H21NO3S/c1-10-2-5-13-12(6-10)7-14(21-13)16(20)17(9-15(18)19)8-11-3-4-11/h7,10-11H,2-6,8-9H2,1H3,(H,18,19)