[2,2,4-trimethyl-3-(4-nitrophenyl)sulfanyl-3H-1-benzofuran-7-yl]carbamic acid

Systemtic Name: [2,2,4-trimethyl-3-(4-nitrophenyl)sulfanyl-3H-1-benzofuran-7-yl]carbamic acid Openeye Name: [2,2,4-trimethyl-3-(4-nitrophenyl)sulfanyl-3H-benzofuran-7-yl]carbamic acid CAS Name: [2,2,4-trimethyl-3-[(4-nitrophenyl)thio]-3H-benzofuran-7-yl]carbamic acid IUPAC Name: [2,2,4-trimethyl-3-(4-nitrophenyl)sulfanyl-3H-1-benzofuran-7-yl]carbamic acid Traditional Name: [2,2,4-trimethyl-3-[(4-nitrophenyl)thio]coumaran-7-yl]carbamic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(OC2=C(C=C1)NC(=O)O)(C)C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(C(OC2=C(C=C1)NC(=O)O)(C)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-10-4-9-13(19-17(21)22)15-14(10)16(18(2,3)25-15)26-12-7-5-11(6-8-12)20(23)24/h4-9,16,19H,1-3H3,(H,21,22)