methyl (6S)-2-[(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6S)-2-[(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-[(3-bromo-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[(3-bromo-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-2-[(3-bromo-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(3-bromo-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H17BrN2O5S MolecularWeight: 453.30698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC=C3C=C(C=C(C3=O)[N+](=O)[O-])Br

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC=C3C=C(C=C(C3=O)[N+](=O)[O-])Br

InChI

InChI=1S/C18H17BrN2O5S/c1-9-3-4-12-14(5-9)27-17(15(12)18(23)26-2)20-8-10-6-11(19)7-13(16(10)22)21(24)25/h6-9,20H,3-5H2,1-2H3/t9-/m0/s1