6-[[(6S)-2-azanyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]-1,3-benzoxazol-2-olate

Systemtic Name: 6-[[(6S)-2-azanyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]-1,3-benzoxazol-2-olate Openeye Name: 6-[(6S)-2-amino-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]-1,3-benzoxazol-2-olate CAS Name: 6-[[(6S)-2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]-1,3-benzoxazol-2-olate IUPAC Name: 6-[(6S)-2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]-1,3-benzoxazol-2-olate Traditional Name: 6-[(6S)-2-amino-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]-1,3-benzoxazol-2-olate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)C3=CC4=C(C=C3)N=C(O4)[O-])N

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)C3=CC4=C(C=C3)N=C(O4)[O-])N

InChI

InChI=1S/C17H16N2O3S/c1-8-2-4-10-13(6-8)23-16(18)14(10)15(20)9-3-5-11-12(7-9)22-17(21)19-11/h3,5,7-8H,2,4,6,18H2,1H3,(H,19,21)/p-1/t8-/m0/s1