5-methoxy-3-prop-2-enyl-2-[(E,3Z)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium

Systemtic Name: 5-methoxy-3-prop-2-enyl-2-[(E,3Z)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium Openeye Name: 3-allyl-5-methoxy-2-[(E,3Z)-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium CAS Name: 5-methoxy-3-prop-2-enyl-2-[(E,3Z)-3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]-1,3-benzothiazol-3-ium IUPAC Name: 5-methoxy-3-prop-2-enyl-2-[(E,3Z)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium Traditional Name: 3-allyl-5-methoxy-2-[(E,3Z)-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium Formula: C25H27N2OS+ MolecularWeight: 403.55968

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC=CC3=[N+](C4=C(S3)C=CC(=C4)OC)CC=C)C)C

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C\C=C\C3=[N+](C4=C(S3)C=CC(=C4)OC)CC=C)C)C

InChI

InChI=1S/C25H27N2OS/c1-6-16-27-21-17-18(28-5)14-15-22(21)29-24(27)13-9-12-23-25(2,3)19-10-7-8-11-20(19)26(23)4/h6-15,17H,1,16H2,2-5H3/q+1