(4S)-2-[(4-methoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate

Systemtic Name: (4S)-2-[(4-methoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate Openeye Name: (4S)-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate CAS Name: (4S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate IUPAC Name: (4S)-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate Traditional Name: (4S)-2-(p-anisoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate Formula: C16H15N2O4S- MolecularWeight: 331.3663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CCCC3C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C16H16N2O4S/c1-22-10-7-5-9(6-8-10)14(19)18-16-17-13-11(15(20)21)3-2-4-12(13)23-16/h5-8,11H,2-4H2,1H3,(H,20,21)(H,17,18,19)/p-1/t11-/m0/s1