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

Systemtic Name: 6-[(2-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]-1,3-benzoxazol-2-olate Openeye Name: 6-(2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)-1,3-benzoxazol-2-olate CAS Name: 6-[(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]-1,3-benzoxazol-2-olate IUPAC Name: 6-(2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1,3-benzoxazol-2-olate Traditional Name: 6-(2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)-1,3-benzoxazol-2-olate Formula: C16H13N2O3S- MolecularWeight: 313.35102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC4=C(C=C3)N=C(O4)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC4=C(C=C3)N=C(O4)[O-]

InChI

InChI=1S/C16H14N2O3S/c17-15-13(9-3-1-2-4-12(9)22-15)14(19)8-5-6-10-11(7-8)21-16(20)18-10/h5-7H,1-4,17H2,(H,18,20)/p-1