5-[(Z)-N-[2-(1-adamantyl)ethanoylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate

Systemtic Name: 5-[(Z)-N-[2-(1-adamantyl)ethanoylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate Openeye Name: 5-[(Z)-N-[[2-(1-adamantyl)acetyl]amino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate CAS Name: 5-[(1Z)-1-[[2-(1-adamantyl)-1-oxoethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylate IUPAC Name: 5-[(Z)-N-[[2-(1-adamantyl)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate Traditional Name: 5-[(Z)-N-[[2-(1-adamantyl)acetyl]amino]-C-methyl-carbonimidoyl]-2-thenoate Formula: C19H23N2O3S- MolecularWeight: 359.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC12CC3CC(C1)CC(C3)C2)C4=CC=C(S4)C(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=O)CC12CC3CC(C1)CC(C3)C2)/C4=CC=C(S4)C(=O)[O-]

InChI

InChI=1S/C19H24N2O3S/c1-11(15-2-3-16(25-15)18(23)24)20-21-17(22)10-19-7-12-4-13(8-19)6-14(5-12)9-19/h2-3,12-14H,4-10H2,1H3,(H,21,22)(H,23,24)/p-1/b20-11-