3-(3H-1,3-benzothiazol-2-ylidene)-4-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]butanoate

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]butanoate Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)butanoate CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)butanoate IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)butanoate Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3,5-dibromo-4-keto-cyclohexa-2,5-dien-1-ylidene)butyrate Formula: C17H10Br2NO3S- MolecularWeight: 468.1392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(CC(=O)[O-])C=C3C=C(C(=O)C(=C3)Br)Br)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(CC(=O)[O-])C=C3C=C(C(=O)C(=C3)Br)Br)S2

InChI

InChI=1S/C17H11Br2NO3S/c18-11-6-9(7-12(19)16(11)23)5-10(8-15(21)22)17-20-13-3-1-2-4-14(13)24-17/h1-7,20H,8H2,(H,21,22)/p-1