(1R,6S)-6-[(2-methyl-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(2-methyl-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(2-methyl-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[(2-methyl-4-thiocyanatoanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(2-methyl-4-thiocyanatophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(2-methyl-4-thiocyanato-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H15N2O3S- MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c1-10-8-11(22-9-17)6-7-14(10)18-15(19)12-4-2-3-5-13(12)16(20)21/h2-3,6-8,12-13H,4-5H2,1H3,(H,18,19)(H,20,21)/p-1/t12-,13+/m0/s1