2-[cyclopropylmethyl-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino]ethanoic acid

Systemtic Name: 2-[cyclopropylmethyl-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino]ethanoic acid Openeye Name: 2-[cyclopropylmethyl-(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]acetic acid CAS Name: 2-[cyclopropylmethyl-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[cyclopropylmethyl-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]acetic acid Traditional Name: 2-[cyclopropylmethyl-(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]acetic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)N(CC3CC3)CC(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)N(CC3CC3)CC(=O)O

InChI

InChI=1S/C16H21NO3S/c1-10-2-5-12-13(9-21-14(12)6-10)16(20)17(8-15(18)19)7-11-3-4-11/h9-11H,2-8H2,1H3,(H,18,19)