[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2O4S/c1-12-2-3-16(27-12)19(25)21-10-18(24)26-11-17(23)22-20-7-13-4-14(8-20)6-15(5-13)9-20/h2-3,13-15H,4-11H2,1H3,(H,21,25)(H,22,23)