methyl (2S)-2-(1-adamantyl)-2-(ethylcarbamothioylamino)ethanoate

Systemtic Name: methyl (2S)-2-(1-adamantyl)-2-(ethylcarbamothioylamino)ethanoate Openeye Name: methyl (2S)-2-(1-adamantyl)-2-(ethylcarbamothioylamino)acetate CAS Name: (2S)-2-(1-adamantyl)-2-[[ethylamino(sulfanylidene)methyl]amino]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(1-adamantyl)-2-(ethylcarbamothioylamino)acetate Traditional Name: (2S)-2-(1-adamantyl)-2-(ethylthiocarbamoylamino)acetic acid methyl ester Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC(C(=O)OC)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCNC(=S)N[C@H](C(=O)OC)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C16H26N2O2S/c1-3-17-15(21)18-13(14(19)20-2)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,3-9H2,1-2H3,(H2,17,18,21)/t10?,11?,12?,13-,16?/m1/s1